• 专利标题:   Method for predicting electronic properties of two-dimensional graphene system, involves applying analytical approach to two-dimensional system to predict electronic properties when two-dimensional system is considered as infinite system.
  • 专利号:   EP3040889-A1
  • 发明人:   SETTNES M, POWER S R, PETERSEN D H, JAUHO A
  • 专利权人:   UNIV DANMARKS TEKNISKE
  • 国际专利分类:   G06F019/00
  • 专利详细信息:   EP3040889-A1 06 Jul 2016 G06F-019/00 201646 Pages: 25 English
  • 申请详细信息:   EP3040889-A1 EP200624 30 Dec 2014
  • 优先权号:   EP200624

▎ 摘  要

NOVELTY - The method involves considering a two-dimensional system as an infinite system without boundaries. The infinite system is converted to a two-dimensional system having boundaries. Analytical approach is applied to the two-dimensional system to predict electronic properties of the two-dimensional system when the two-dimensional system is considered as an infinite system. Green's function methods involving an appliance of a combination of analytical Green's function and recursive Green's function methods are applied to the two-dimensional system. USE - Method for predicting electronic properties of a two-dimensional system i.e. two-dimensional graphene system (claimed). ADVANTAGE - The method enables allowing efficient treatment of local properties in systems without periodicity or finite sizes so as to allow for easier theoretical investigation of systems that are computationally expensive, thus including large separations between the different probes and nanostructures as additional separation is achieved in a very computationally efficient manner through a self energy term connecting patches. DESCRIPTION OF DRAWING(S) - The drawing shows a schematic view of a computational setup containing a finite device patch embedded within an extended system. Finite device patch (Hd) Self-energy (SigmaB)